General Information of the Compound
| Compound ID |
CP0128974
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| Compound Name |
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
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| Structure |
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| Formula |
C22H24F4N2O
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| Molecular Weight |
408.439
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| Canonical SMILES |
Cc1c(CC(O)(CC(C)(C)c2cc(F)ccc2C)C(F)(F)F)[nH]c2cnccc12
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| InChI |
InChI=1S/C22H24F4N2O/c1-13-5-6-15(23)9-17(13)20(3,4)12-21(29,22(24,25)26)10-18-14(2)16-7-8-27-11-19(16)28-18/h5-9,11,28-29H,10,12H2,1-4H3
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| InChIKey |
JTNNQTQMGYMRGO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound